REMARK  Name = BDB051611
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.752  -0.565   0.444  0.00  0.00    -0.022 A 
ATOM      2  C   LIG    1       -2.458   0.589  -0.318  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1       -1.112   0.986  -0.482  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -0.064   0.246   0.085  0.00  0.00    +0.066 A 
ATOM      5  C   LIG    1       -0.366  -0.906   0.821  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -1.693  -1.306   0.992  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        1.298   0.639  -0.076  0.00  0.00    -0.239 N 
ATOM      8  N   LIG    1        2.298  -0.096   0.490  0.00  0.00    -0.166 NA
ATOM      9  C   LIG    1        3.450   0.523   0.164  0.00  0.00    +0.105 A 
ATOM     10  C   LIG    1        3.140   1.681  -0.631  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1        4.029   2.600  -1.176  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1        5.362   2.273  -0.857  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.733   1.138  -0.073  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        4.796   0.220   0.468  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1        1.782   1.730  -0.766  0.00  0.00    +0.123 A 
BRANCH  14  16
ATOM     16  C   LIG    1        5.232  -0.935   1.270  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1        6.419  -1.139   1.497  0.00  0.00    -0.270 OA
ATOM     18  N   LIG    1        4.264  -1.768   1.748  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1        3.281  -1.598   1.553  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1        4.535  -2.571   2.297  0.00  0.00    +0.145 HD
ENDBRANCH  14  16
ENDBRANCH   4   7
BRANCH   2  21
ATOM     21  C   LIG    1       -3.556   1.409  -0.961  0.00  0.00    +0.418 C 
ATOM     22  F   LIG    1       -3.088   2.430  -1.734  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1       -4.361   0.672  -1.777  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1       -4.379   1.991  -0.045  0.00  0.00    -0.166 F 
ENDBRANCH   2  21
BRANCH   1  25
ATOM     25  C   LIG    1       -4.170  -1.058   0.656  0.00  0.00    +0.116 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -5.940  -2.407  -0.249  0.00  0.00    +0.101 C 
ATOM     27  N   LIG    1       -4.599  -1.882  -0.470  0.00  0.00    -0.315 NA
ATOM     28  H   LIG    1       -4.607  -1.315  -1.320  0.00  0.00    +0.122 HD
ENDBRANCH  25  27
ENDBRANCH   1  25
TORSDOF 5